Compound Detail
CHEMBL2028665
REMOGLIFLOZIN ETABONATE 🧪 Phase II
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🧪 Phase II
CCOC(=O)OC[C@H]1O[C@@H](Oc2nn(C(C)C)c(C)c2Cc2ccc(OC(C)C)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL2028665 |
| Name | REMOGLIFLOZIN ETABONATE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | UAOCLDQAQNNEAX-ABMICEGHSA-N |
| Active Moiety | CHEMBL3958686 |
2
Targets
4
Activities
2
Assay Types
4
PK Parameters
9
Publications
8
Known Names
2
Indications
1
Mechanisms
Molecular Properties
522.6
MW (Da)
2.51
ALogP
11
HBA
3
HBD
141.7
PSA (Ų)
0.40
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Sodium/glucose cotransporter 2 inhibitor | INHIBITOR | Sodium/glucose cotransporter 2 | ✓ | ✓ |
Indications
Diabetes Mellitus, Type 1 Diabetes Mellitus, Type 2
Activity Summary
IC50 2 meas. best 5.6
Ki 2 meas. best 7.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | Ki | 7.91 | 7.91 | 12.4 | 1 |
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 5.6 | 5.6 | 2530.0 | 2 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | Ki | 5.34 | 5.34 | 4520.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 3.4 | mL.min-1.g-1 | Mus musculus |
| F | 27.0 | % | Rattus norvegicus |
| F | 5.79 | % | Rattus norvegicus |
| T1/2 | 2.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | Ki | = | 12.4 | nM | 7.91 | Inhibition of SGLT2 (unknown origin) | 33783211 |
| Sodium/glucose cotransporter 2 | IC50 | = | 2530.0 | nM | 5.6 | Inhibition of human SGLT2 expressed in COS7 cells assessed as reduction in [14C]... | 33581390 |
| Sodium/glucose cotransporter 2 | IC50 | = | 2530.0 | nM | 5.6 | Inhibition of human SGLT2 expressed in COS-7 cells | 35924548 |
| Sodium/glucose cotransporter 1 | Ki | = | 4520.0 | nM | 5.34 | Inhibition of SGLT1 (unknown origin) | 33783211 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19243175 | 10.1021/jm8013019 | Rattus norvegicus | 3 |
| 33581390 | 10.1016/j.bmc.2021.116033 | ADMET | 3 |
| 33581390 | 10.1016/j.bmc.2021.116033 | Sodium/glucose cotransporter 2 | 1 |
| 33581390 | 10.1016/j.bmc.2021.116033 | Sodium/glucose cotransporter 1 | 1 |
| 35924548 | 10.1021/acs.jmedchem.2c00867 | Sodium/glucose cotransporter 1 | 1 |
| 35924548 | 10.1021/acs.jmedchem.2c00867 | Sodium/glucose cotransporter 2 | 1 |
| 33783211 | 10.1021/acs.jmedchem.1c00208 | Sodium/glucose cotransporter 2 | 1 |
| 33783211 | 10.1021/acs.jmedchem.1c00208 | Sodium/glucose cotransporter 1 | 1 |
| 33783211 | 10.1021/acs.jmedchem.1c00208 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine